CID 5063154

1-(2,4-dichlorophenyl)-3-(2,4,6-trichlorophenyl)urea

Structural Information

Molecular Formula
C13H7Cl5N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl5N2O/c14-6-1-2-11(8(16)3-6)19-13(21)20-12-9(17)4-7(15)5-10(12)18/h1-5H,(H2,19,20,21)
InChIKey
XRWOPVDDRLUGHA-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-3-(2,4,6-trichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.90012 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.907396 179.9
[M+Na]+ 404.889338 189.1
[M-H]- 380.892844 181.3
[M+NH4]+ 399.933943 192.1
[M+K]+ 420.863278 182.8
[M+H-H2O]+ 364.897380 176.3
[M+HCOO]- 426.898321 179.4
[M+CH3COO]- 440.913971 218.8
[M+Na-2H]- 402.874786 178.6
[M]+ 381.89957142 180.8
[M]- 381.90066858 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.